CID 11062637

Methoxybenzyl chloride

Structural Information

Molecular Formula
C8H9ClO
SMILES
COC(C1=CC=CC=C1)Cl
InChI
InChI=1S/C8H9ClO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
YVBSAPDHRXHFHV-UHFFFAOYSA-N
Compound name
[chloro(methoxy)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1391
Patents

156.0342 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 128.4
[M+Na]+ 179.023418 136.8
[M-H]- 155.026924 132.0
[M+NH4]+ 174.068023 150.2
[M+K]+ 194.997358 134.1
[M+H-H2O]+ 139.031460 123.9
[M+HCOO]- 201.032401 148.0
[M+CH3COO]- 215.048051 175.1
[M+Na-2H]- 177.008866 135.6
[M]+ 156.03365142 130.7
[M]- 156.03474858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe